USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 THR OG1 : rot 2:sc= 0.849 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -3.39! C(o=-7.8!,f=-3.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 134:sc= -0.299 (180deg=-1.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 147:sc= -0.349 (180deg=-1.93!) USER MOD Single : A 28 GLN : amide:sc= -0.588 K(o=-0.59,f=-1.7) USER MOD Single : A 38 ASN : amide:sc= -5.63! C(o=-5.6!,f=-12!) USER MOD Single : A 42 THR OG1 : rot 160:sc= -0.138 USER MOD Single : A 47 ASN : amide:sc= -0.0495 X(o=-0.049,f=-0.049) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -174:sc= -2.69! USER MOD Single : A 71 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.042) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 85 SER OG : rot 16:sc= 1.41 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.657 -12.959 19.930 1.00 0.00 N ATOM 21 CA THR A 2 51.054 -12.567 19.769 1.00 0.00 C ATOM 22 C THR A 2 51.724 -13.401 18.692 1.00 0.00 C ATOM 23 O THR A 2 51.376 -14.565 18.493 1.00 0.00 O ATOM 24 CB THR A 2 51.819 -12.781 21.082 1.00 0.00 C ATOM 25 OG1 THR A 2 50.908 -13.159 22.105 1.00 0.00 O ATOM 26 CG2 THR A 2 52.535 -11.492 21.485 1.00 0.00 C ATOM 0 HA THR A 2 51.073 -11.514 19.487 1.00 0.00 H new ATOM 0 HB THR A 2 52.558 -13.570 20.941 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.004 -13.220 21.732 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.076 -11.652 22.418 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.238 -11.207 20.703 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.803 -10.697 21.622 1.00 0.00 H new ATOM 34 N VAL A 3 52.719 -12.822 18.029 1.00 0.00 N ATOM 35 CA VAL A 3 53.455 -13.534 17.031 1.00 0.00 C ATOM 36 C VAL A 3 54.897 -13.159 17.140 1.00 0.00 C ATOM 37 O VAL A 3 55.242 -11.993 17.317 1.00 0.00 O ATOM 38 CB VAL A 3 52.973 -13.210 15.642 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.904 -14.210 15.252 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.408 -11.794 15.609 1.00 0.00 C ATOM 0 H VAL A 3 53.023 -11.860 18.176 1.00 0.00 H new ATOM 0 HA VAL A 3 53.311 -14.601 17.199 1.00 0.00 H new ATOM 0 HB VAL A 3 53.802 -13.268 14.937 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.546 -13.986 14.247 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.322 -15.216 15.273 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.074 -14.148 15.955 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.061 -11.564 14.602 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.574 -11.719 16.307 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.185 -11.085 15.895 1.00 0.00 H new ATOM 50 N LYS A 4 55.728 -14.151 17.030 1.00 0.00 N ATOM 51 CA LYS A 4 57.133 -13.943 17.111 1.00 0.00 C ATOM 52 C LYS A 4 57.851 -14.995 16.319 1.00 0.00 C ATOM 53 O LYS A 4 57.465 -16.164 16.306 1.00 0.00 O ATOM 54 CB LYS A 4 57.582 -13.976 18.548 1.00 0.00 C ATOM 55 CG LYS A 4 56.943 -15.176 19.257 1.00 0.00 C ATOM 56 CD LYS A 4 55.552 -14.795 19.817 1.00 0.00 C ATOM 57 CE LYS A 4 54.453 -15.657 19.173 1.00 0.00 C ATOM 58 NZ LYS A 4 54.365 -16.963 19.886 1.00 0.00 N ATOM 0 H LYS A 4 55.448 -15.121 16.882 1.00 0.00 H new ATOM 0 HA LYS A 4 57.370 -12.964 16.695 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.669 -14.047 18.599 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.299 -13.051 19.050 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.846 -16.008 18.560 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.589 -15.513 20.068 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.540 -14.930 20.899 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.353 -13.741 19.625 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.495 -15.139 19.221 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.675 -15.820 18.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 53.622 -17.547 19.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 55.277 -17.457 19.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 54.134 -16.797 20.886 1.00 0.00 H new ATOM 72 N GLN A 5 58.868 -14.557 15.621 1.00 0.00 N ATOM 73 CA GLN A 5 59.616 -15.442 14.764 1.00 0.00 C ATOM 74 C GLN A 5 61.065 -15.009 14.645 1.00 0.00 C ATOM 75 O GLN A 5 61.406 -13.846 14.821 1.00 0.00 O ATOM 76 CB GLN A 5 58.984 -15.423 13.387 1.00 0.00 C ATOM 77 CG GLN A 5 57.461 -15.371 13.519 1.00 0.00 C ATOM 78 CD GLN A 5 56.820 -15.443 12.136 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.119 -14.538 11.244 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.029 -16.345 11.862 1.00 0.00 N flip ATOM 0 H GLN A 5 59.198 -13.592 15.629 1.00 0.00 H new ATOM 0 HA GLN A 5 59.595 -16.443 15.195 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.340 -14.559 12.825 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.280 -16.311 12.828 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.112 -16.199 14.135 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.161 -14.451 14.021 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.798 -17.050 12.561 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.605 -16.387 10.935 1.00 0.00 H new ATOM 89 N THR A 6 61.906 -15.967 14.338 1.00 0.00 N ATOM 90 CA THR A 6 63.311 -15.724 14.169 1.00 0.00 C ATOM 91 C THR A 6 63.666 -15.756 12.689 1.00 0.00 C ATOM 92 O THR A 6 63.693 -16.821 12.072 1.00 0.00 O ATOM 93 CB THR A 6 64.098 -16.793 14.919 1.00 0.00 C ATOM 94 OG1 THR A 6 63.328 -17.261 16.018 1.00 0.00 O ATOM 95 CG2 THR A 6 65.393 -16.191 15.425 1.00 0.00 C ATOM 0 H THR A 6 61.630 -16.939 14.199 1.00 0.00 H new ATOM 0 HA THR A 6 63.563 -14.742 14.569 1.00 0.00 H new ATOM 0 HB THR A 6 64.318 -17.627 14.252 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.831 -17.950 16.501 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.961 -16.950 15.963 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.980 -15.828 14.581 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.171 -15.361 16.096 1.00 0.00 H new ATOM 103 N VAL A 7 63.925 -14.584 12.120 1.00 0.00 N ATOM 104 CA VAL A 7 64.264 -14.504 10.699 1.00 0.00 C ATOM 105 C VAL A 7 65.770 -14.366 10.494 1.00 0.00 C ATOM 106 O VAL A 7 66.378 -13.384 10.918 1.00 0.00 O ATOM 107 CB VAL A 7 63.555 -13.302 10.047 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.143 -13.642 8.604 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.309 -12.931 10.858 1.00 0.00 C ATOM 0 H VAL A 7 63.908 -13.689 12.609 1.00 0.00 H new ATOM 0 HA VAL A 7 63.930 -15.429 10.230 1.00 0.00 H new ATOM 0 HB VAL A 7 64.245 -12.458 10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.643 -12.783 8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.030 -13.890 8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.463 -14.494 8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 7 61.812 -12.080 10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.626 -13.780 10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.602 -12.668 11.875 1.00 0.00 H new ATOM 119 N GLU A 8 66.363 -15.341 9.812 1.00 0.00 N ATOM 120 CA GLU A 8 67.791 -15.292 9.530 1.00 0.00 C ATOM 121 C GLU A 8 68.047 -14.220 8.479 1.00 0.00 C ATOM 122 O GLU A 8 67.364 -14.177 7.456 1.00 0.00 O ATOM 123 CB GLU A 8 68.275 -16.652 9.024 1.00 0.00 C ATOM 124 CG GLU A 8 68.078 -17.700 10.121 1.00 0.00 C ATOM 125 CD GLU A 8 68.610 -19.050 9.653 1.00 0.00 C ATOM 126 OE1 GLU A 8 69.819 -19.191 9.567 1.00 0.00 O ATOM 127 OE2 GLU A 8 67.801 -19.923 9.386 1.00 0.00 O ATOM 0 H GLU A 8 65.883 -16.164 9.449 1.00 0.00 H new ATOM 0 HA GLU A 8 68.338 -15.051 10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.722 -16.938 8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.327 -16.595 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.596 -17.390 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.020 -17.783 10.370 1.00 0.00 H new ATOM 134 N ILE A 9 69.006 -13.336 8.736 1.00 0.00 N ATOM 135 CA ILE A 9 69.284 -12.261 7.789 1.00 0.00 C ATOM 136 C ILE A 9 70.178 -12.718 6.655 1.00 0.00 C ATOM 137 O ILE A 9 71.219 -13.338 6.868 1.00 0.00 O ATOM 138 CB ILE A 9 69.993 -11.062 8.454 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.725 -11.020 9.951 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.516 -9.746 7.833 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.354 -10.398 10.209 1.00 0.00 C ATOM 0 H ILE A 9 69.592 -13.340 9.571 1.00 0.00 H new ATOM 0 HA ILE A 9 68.306 -11.963 7.412 1.00 0.00 H new ATOM 0 HB ILE A 9 71.063 -11.187 8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.762 -12.027 10.366 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.499 -10.440 10.453 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.026 -8.911 8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.742 -9.744 6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.440 -9.645 7.976 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.164 -10.369 11.282 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.333 -9.384 9.809 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.585 -10.997 9.720 1.00 0.00 H new ATOM 311 N ALA A 20 62.517 -2.014 7.739 1.00 0.00 N ATOM 312 CA ALA A 20 62.335 -2.083 9.175 1.00 0.00 C ATOM 313 C ALA A 20 61.625 -0.837 9.673 1.00 0.00 C ATOM 314 O ALA A 20 60.981 -0.853 10.720 1.00 0.00 O ATOM 315 CB ALA A 20 63.698 -2.231 9.844 1.00 0.00 C ATOM 0 HA ALA A 20 61.718 -2.946 9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.569 -2.284 10.925 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.179 -3.143 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.321 -1.372 9.594 1.00 0.00 H new ATOM 321 N MET A 21 61.739 0.243 8.911 1.00 0.00 N ATOM 322 CA MET A 21 61.094 1.485 9.281 1.00 0.00 C ATOM 323 C MET A 21 59.649 1.501 8.792 1.00 0.00 C ATOM 324 O MET A 21 58.825 2.260 9.302 1.00 0.00 O ATOM 325 CB MET A 21 61.880 2.667 8.718 1.00 0.00 C ATOM 326 CG MET A 21 63.200 2.791 9.488 1.00 0.00 C ATOM 327 SD MET A 21 63.982 4.379 9.102 1.00 0.00 S ATOM 328 CE MET A 21 62.758 5.450 9.900 1.00 0.00 C ATOM 0 H MET A 21 62.269 0.280 8.040 1.00 0.00 H new ATOM 0 HA MET A 21 61.079 1.569 10.368 1.00 0.00 H new ATOM 0 HB2 MET A 21 62.075 2.520 7.656 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.300 3.585 8.812 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.016 2.716 10.560 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.867 1.971 9.221 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.269 6.205 10.497 1.00 0.00 H new ATOM 0 HE2 MET A 21 62.151 5.939 9.138 1.00 0.00 H new ATOM 0 HE3 MET A 21 62.116 4.851 10.546 1.00 0.00 H new ATOM 338 N LYS A 22 59.328 0.629 7.833 1.00 0.00 N ATOM 339 CA LYS A 22 57.954 0.545 7.347 1.00 0.00 C ATOM 340 C LYS A 22 57.095 0.027 8.477 1.00 0.00 C ATOM 341 O LYS A 22 56.051 0.592 8.781 1.00 0.00 O ATOM 342 CB LYS A 22 57.837 -0.393 6.143 1.00 0.00 C ATOM 343 CG LYS A 22 59.020 -0.175 5.207 1.00 0.00 C ATOM 344 CD LYS A 22 58.988 1.243 4.623 1.00 0.00 C ATOM 345 CE LYS A 22 57.688 1.461 3.841 1.00 0.00 C ATOM 346 NZ LYS A 22 57.927 2.443 2.746 1.00 0.00 N ATOM 0 H LYS A 22 59.984 -0.013 7.389 1.00 0.00 H new ATOM 0 HA LYS A 22 57.628 1.533 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.812 -1.430 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.903 -0.207 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.953 -0.331 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.993 -0.908 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 22 59.067 1.977 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.846 1.394 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 22 57.337 0.516 3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.907 1.826 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 57.045 2.592 2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 58.243 3.347 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.660 2.077 2.105 1.00 0.00 H new ATOM 360 N LEU A 23 57.587 -1.022 9.137 1.00 0.00 N ATOM 361 CA LEU A 23 56.900 -1.592 10.285 1.00 0.00 C ATOM 362 C LEU A 23 56.221 -0.473 11.046 1.00 0.00 C ATOM 363 O LEU A 23 55.072 -0.574 11.466 1.00 0.00 O ATOM 364 CB LEU A 23 57.952 -2.207 11.204 1.00 0.00 C ATOM 365 CG LEU A 23 58.147 -3.695 10.920 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.912 -3.896 9.602 1.00 0.00 C ATOM 367 CD2 LEU A 23 58.954 -4.280 12.075 1.00 0.00 C ATOM 0 H LEU A 23 58.459 -1.491 8.892 1.00 0.00 H new ATOM 0 HA LEU A 23 56.171 -2.336 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.900 -1.684 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.652 -2.071 12.243 1.00 0.00 H new ATOM 0 HG LEU A 23 57.180 -4.190 10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.042 -4.962 9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.348 -3.450 8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.889 -3.418 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.113 -5.345 11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.918 -3.775 12.138 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.409 -4.139 13.008 1.00 0.00 H new ATOM 379 N PHE A 24 56.980 0.591 11.222 1.00 0.00 N ATOM 380 CA PHE A 24 56.516 1.757 11.940 1.00 0.00 C ATOM 381 C PHE A 24 55.435 2.491 11.142 1.00 0.00 C ATOM 382 O PHE A 24 54.286 2.610 11.579 1.00 0.00 O ATOM 383 CB PHE A 24 57.704 2.688 12.180 1.00 0.00 C ATOM 384 CG PHE A 24 58.973 1.909 12.510 1.00 0.00 C ATOM 385 CD1 PHE A 24 58.944 0.533 12.813 1.00 0.00 C ATOM 386 CD2 PHE A 24 60.202 2.581 12.489 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.135 -0.144 13.085 1.00 0.00 C ATOM 388 CE2 PHE A 24 61.387 1.898 12.770 1.00 0.00 C ATOM 389 CZ PHE A 24 61.352 0.536 13.066 1.00 0.00 C ATOM 0 H PHE A 24 57.934 0.669 10.871 1.00 0.00 H new ATOM 0 HA PHE A 24 56.083 1.445 12.891 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.872 3.299 11.293 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.472 3.370 12.998 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.003 0.003 12.835 1.00 0.00 H new ATOM 0 HD2 PHE A 24 60.233 3.635 12.254 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.113 -1.200 13.311 1.00 0.00 H new ATOM 0 HE2 PHE A 24 62.330 2.424 12.758 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.269 0.007 13.281 1.00 0.00 H new ATOM 399 N GLU A 25 55.799 2.962 9.958 1.00 0.00 N ATOM 400 CA GLU A 25 54.838 3.656 9.111 1.00 0.00 C ATOM 401 C GLU A 25 53.712 2.701 8.770 1.00 0.00 C ATOM 402 O GLU A 25 52.593 3.109 8.462 1.00 0.00 O ATOM 403 CB GLU A 25 55.511 4.153 7.830 1.00 0.00 C ATOM 404 CG GLU A 25 56.449 5.316 8.163 1.00 0.00 C ATOM 405 CD GLU A 25 57.370 5.596 6.981 1.00 0.00 C ATOM 406 OE1 GLU A 25 58.542 5.271 7.078 1.00 0.00 O ATOM 407 OE2 GLU A 25 56.891 6.132 5.995 1.00 0.00 O ATOM 0 H GLU A 25 56.737 2.879 9.566 1.00 0.00 H new ATOM 0 HA GLU A 25 54.443 4.521 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.071 3.343 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.757 4.475 7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.867 6.207 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.040 5.076 9.047 1.00 0.00 H new ATOM 414 N LEU A 26 54.026 1.419 8.861 1.00 0.00 N ATOM 415 CA LEU A 26 53.058 0.375 8.602 1.00 0.00 C ATOM 416 C LEU A 26 52.267 0.121 9.873 1.00 0.00 C ATOM 417 O LEU A 26 51.086 -0.209 9.822 1.00 0.00 O ATOM 418 CB LEU A 26 53.781 -0.882 8.101 1.00 0.00 C ATOM 419 CG LEU A 26 52.922 -2.122 8.309 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.910 -2.464 9.804 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.490 -1.881 7.776 1.00 0.00 C ATOM 0 H LEU A 26 54.953 1.078 9.115 1.00 0.00 H new ATOM 0 HA LEU A 26 52.358 0.675 7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.018 -0.772 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.727 -0.997 8.630 1.00 0.00 H new ATOM 0 HG LEU A 26 53.338 -2.963 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.298 -3.351 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.928 -2.658 10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.495 -1.627 10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.888 -2.776 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.039 -1.044 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.532 -1.653 6.711 1.00 0.00 H new ATOM 433 N MET A 27 52.912 0.313 11.021 1.00 0.00 N ATOM 434 CA MET A 27 52.220 0.138 12.286 1.00 0.00 C ATOM 435 C MET A 27 50.967 0.986 12.219 1.00 0.00 C ATOM 436 O MET A 27 49.924 0.633 12.771 1.00 0.00 O ATOM 437 CB MET A 27 53.096 0.577 13.471 1.00 0.00 C ATOM 438 CG MET A 27 53.696 -0.651 14.163 1.00 0.00 C ATOM 439 SD MET A 27 54.479 -0.148 15.717 1.00 0.00 S ATOM 440 CE MET A 27 52.971 0.320 16.603 1.00 0.00 C ATOM 0 H MET A 27 53.892 0.584 11.098 1.00 0.00 H new ATOM 0 HA MET A 27 51.982 -0.914 12.443 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.893 1.233 13.121 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.500 1.150 14.181 1.00 0.00 H new ATOM 0 HG2 MET A 27 52.917 -1.388 14.358 1.00 0.00 H new ATOM 0 HG3 MET A 27 54.429 -1.127 13.512 1.00 0.00 H new ATOM 0 HE1 MET A 27 53.091 0.103 17.664 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.786 1.386 16.469 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.127 -0.247 16.210 1.00 0.00 H new ATOM 450 N GLN A 28 51.071 2.095 11.486 1.00 0.00 N ATOM 451 CA GLN A 28 49.920 2.961 11.301 1.00 0.00 C ATOM 452 C GLN A 28 48.899 2.198 10.473 1.00 0.00 C ATOM 453 O GLN A 28 47.720 2.548 10.421 1.00 0.00 O ATOM 454 CB GLN A 28 50.322 4.253 10.586 1.00 0.00 C ATOM 455 CG GLN A 28 51.132 5.135 11.539 1.00 0.00 C ATOM 456 CD GLN A 28 50.205 5.789 12.558 1.00 0.00 C ATOM 457 OE1 GLN A 28 49.816 5.157 13.540 1.00 0.00 O ATOM 458 NE2 GLN A 28 49.827 7.026 12.383 1.00 0.00 N ATOM 0 H GLN A 28 51.924 2.405 11.022 1.00 0.00 H new ATOM 0 HA GLN A 28 49.501 3.239 12.268 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.911 4.022 9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 28 49.433 4.786 10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.884 4.536 12.052 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.664 5.901 10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 28 50.151 7.548 11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 28 49.208 7.471 13.061 1.00 0.00 H new ATOM 467 N GLY A 29 49.381 1.125 9.845 1.00 0.00 N ATOM 468 CA GLY A 29 48.533 0.259 9.028 1.00 0.00 C ATOM 469 C GLY A 29 48.037 -0.908 9.872 1.00 0.00 C ATOM 470 O GLY A 29 46.837 -1.171 9.950 1.00 0.00 O ATOM 0 H GLY A 29 50.358 0.835 9.887 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.687 0.824 8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.093 -0.111 8.169 1.00 0.00 H new ATOM 474 N PHE A 30 48.976 -1.578 10.536 1.00 0.00 N ATOM 475 CA PHE A 30 48.639 -2.691 11.419 1.00 0.00 C ATOM 476 C PHE A 30 48.808 -2.243 12.856 1.00 0.00 C ATOM 477 O PHE A 30 49.816 -1.629 13.204 1.00 0.00 O ATOM 478 CB PHE A 30 49.555 -3.897 11.201 1.00 0.00 C ATOM 479 CG PHE A 30 49.641 -4.276 9.746 1.00 0.00 C ATOM 480 CD1 PHE A 30 50.884 -4.574 9.210 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.500 -4.359 8.947 1.00 0.00 C ATOM 482 CE1 PHE A 30 51.017 -4.952 7.882 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.624 -4.737 7.606 1.00 0.00 C ATOM 484 CZ PHE A 30 49.887 -5.034 7.071 1.00 0.00 C ATOM 0 H PHE A 30 49.973 -1.370 10.480 1.00 0.00 H new ATOM 0 HA PHE A 30 47.613 -2.985 11.199 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.552 -3.669 11.577 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.183 -4.745 11.776 1.00 0.00 H new ATOM 0 HD1 PHE A 30 51.762 -4.511 9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.528 -4.133 9.361 1.00 0.00 H new ATOM 0 HE1 PHE A 30 51.992 -5.182 7.478 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.746 -4.800 6.981 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.983 -5.325 6.035 1.00 0.00 H new ATOM 494 N ASP A 31 47.856 -2.588 13.704 1.00 0.00 N ATOM 495 CA ASP A 31 47.966 -2.246 15.097 1.00 0.00 C ATOM 496 C ASP A 31 48.663 -3.400 15.755 1.00 0.00 C ATOM 497 O ASP A 31 48.062 -4.446 15.990 1.00 0.00 O ATOM 498 CB ASP A 31 46.588 -2.020 15.713 1.00 0.00 C ATOM 499 CG ASP A 31 46.727 -1.631 17.181 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.843 -1.371 17.602 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.716 -1.600 17.864 1.00 0.00 O ATOM 0 H ASP A 31 47.010 -3.099 13.450 1.00 0.00 H new ATOM 0 HA ASP A 31 48.522 -1.318 15.233 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.062 -1.235 15.169 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.988 -2.926 15.624 1.00 0.00 H new ATOM 506 N ALA A 32 49.947 -3.237 15.997 1.00 0.00 N ATOM 507 CA ALA A 32 50.704 -4.295 16.564 1.00 0.00 C ATOM 508 C ALA A 32 52.061 -3.793 16.969 1.00 0.00 C ATOM 509 O ALA A 32 52.611 -2.869 16.371 1.00 0.00 O ATOM 510 CB ALA A 32 50.841 -5.413 15.548 1.00 0.00 C ATOM 0 H ALA A 32 50.471 -2.383 15.806 1.00 0.00 H new ATOM 0 HA ALA A 32 50.194 -4.674 17.450 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.422 -6.228 15.980 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.851 -5.779 15.274 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.348 -5.037 14.659 1.00 0.00 H new ATOM 516 N GLU A 33 52.583 -4.406 17.995 1.00 0.00 N ATOM 517 CA GLU A 33 53.864 -4.041 18.516 1.00 0.00 C ATOM 518 C GLU A 33 54.890 -5.051 18.075 1.00 0.00 C ATOM 519 O GLU A 33 55.130 -6.061 18.734 1.00 0.00 O ATOM 520 CB GLU A 33 53.749 -3.994 20.015 1.00 0.00 C ATOM 521 CG GLU A 33 54.400 -2.718 20.528 1.00 0.00 C ATOM 522 CD GLU A 33 54.530 -2.763 22.046 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.502 -3.327 22.522 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.655 -2.234 22.712 1.00 0.00 O ATOM 0 H GLU A 33 52.129 -5.173 18.491 1.00 0.00 H new ATOM 0 HA GLU A 33 54.181 -3.066 18.146 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.701 -4.026 20.312 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.232 -4.866 20.456 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.384 -2.597 20.076 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.805 -1.854 20.233 1.00 0.00 H new ATOM 531 N VAL A 34 55.475 -4.756 16.943 1.00 0.00 N ATOM 532 CA VAL A 34 56.476 -5.629 16.360 1.00 0.00 C ATOM 533 C VAL A 34 57.799 -5.443 17.076 1.00 0.00 C ATOM 534 O VAL A 34 58.284 -4.324 17.222 1.00 0.00 O ATOM 535 CB VAL A 34 56.677 -5.319 14.876 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.455 -6.466 14.230 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.331 -5.138 14.172 1.00 0.00 C ATOM 0 H VAL A 34 55.278 -3.915 16.400 1.00 0.00 H new ATOM 0 HA VAL A 34 56.128 -6.656 16.466 1.00 0.00 H new ATOM 0 HB VAL A 34 57.237 -4.389 14.778 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.603 -6.254 13.171 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.424 -6.569 14.719 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.893 -7.394 14.339 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.499 -4.918 13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.747 -6.053 14.264 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.788 -4.313 14.633 1.00 0.00 H new ATOM 547 N LEU A 35 58.372 -6.540 17.545 1.00 0.00 N ATOM 548 CA LEU A 35 59.627 -6.467 18.264 1.00 0.00 C ATOM 549 C LEU A 35 60.767 -7.087 17.455 1.00 0.00 C ATOM 550 O LEU A 35 60.670 -8.228 17.016 1.00 0.00 O ATOM 551 CB LEU A 35 59.485 -7.221 19.581 1.00 0.00 C ATOM 552 CG LEU A 35 59.921 -6.352 20.747 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.654 -7.128 22.034 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.418 -6.032 20.620 1.00 0.00 C ATOM 0 H LEU A 35 57.991 -7.480 17.441 1.00 0.00 H new ATOM 0 HA LEU A 35 59.863 -5.418 18.442 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.449 -7.530 19.719 1.00 0.00 H new ATOM 0 HB3 LEU A 35 60.087 -8.129 19.553 1.00 0.00 H new ATOM 0 HG LEU A 35 59.369 -5.412 20.755 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.958 -6.527 22.891 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.590 -7.354 22.109 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.223 -8.058 22.023 1.00 0.00 H new ATOM 0 HD21 LEU A 35 61.729 -5.408 21.458 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.990 -6.960 20.626 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.599 -5.501 19.685 1.00 0.00 H new ATOM 566 N LEU A 36 61.844 -6.329 17.263 1.00 0.00 N ATOM 567 CA LEU A 36 62.997 -6.808 16.506 1.00 0.00 C ATOM 568 C LEU A 36 64.216 -7.010 17.407 1.00 0.00 C ATOM 569 O LEU A 36 64.683 -6.067 18.035 1.00 0.00 O ATOM 570 CB LEU A 36 63.346 -5.768 15.455 1.00 0.00 C ATOM 571 CG LEU A 36 62.477 -5.967 14.214 1.00 0.00 C ATOM 572 CD1 LEU A 36 61.004 -6.080 14.618 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.646 -4.766 13.297 1.00 0.00 C ATOM 0 H LEU A 36 61.942 -5.379 17.622 1.00 0.00 H new ATOM 0 HA LEU A 36 62.739 -7.766 16.054 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.195 -4.767 15.858 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.400 -5.848 15.188 1.00 0.00 H new ATOM 0 HG LEU A 36 62.781 -6.881 13.704 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.392 -6.222 13.727 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.874 -6.931 15.286 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.696 -5.168 15.129 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.030 -4.898 12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.338 -3.862 13.821 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.692 -4.677 13.004 1.00 0.00 H new ATOM 585 N ARG A 37 64.745 -8.232 17.449 1.00 0.00 N ATOM 586 CA ARG A 37 65.921 -8.514 18.258 1.00 0.00 C ATOM 587 C ARG A 37 66.779 -9.596 17.623 1.00 0.00 C ATOM 588 O ARG A 37 66.272 -10.467 16.928 1.00 0.00 O ATOM 589 CB ARG A 37 65.506 -8.994 19.652 1.00 0.00 C ATOM 590 CG ARG A 37 64.159 -9.714 19.578 1.00 0.00 C ATOM 591 CD ARG A 37 63.012 -8.690 19.564 1.00 0.00 C ATOM 592 NE ARG A 37 62.011 -9.026 20.580 1.00 0.00 N ATOM 593 CZ ARG A 37 61.543 -10.261 20.728 1.00 0.00 C ATOM 594 NH1 ARG A 37 60.696 -10.529 21.685 1.00 0.00 N ATOM 595 NH2 ARG A 37 61.909 -11.200 19.905 1.00 0.00 N ATOM 0 H ARG A 37 64.379 -9.034 16.936 1.00 0.00 H new ATOM 0 HA ARG A 37 66.494 -7.589 18.329 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.265 -9.665 20.055 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.437 -8.145 20.332 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.117 -10.331 18.681 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.049 -10.384 20.431 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.406 -7.691 19.750 1.00 0.00 H new ATOM 0 HD3 ARG A 37 62.546 -8.670 18.579 1.00 0.00 H new ATOM 0 HE ARG A 37 61.662 -8.289 21.193 1.00 0.00 H new ATOM 0 HH11 ARG A 37 60.393 -9.790 22.320 1.00 0.00 H new ATOM 0 HH12 ARG A 37 60.337 -11.477 21.798 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.556 -10.989 19.145 1.00 0.00 H new ATOM 0 HH22 ARG A 37 61.549 -12.147 20.020 1.00 0.00 H new ATOM 609 N ASN A 38 68.075 -9.570 17.917 1.00 0.00 N ATOM 610 CA ASN A 38 68.971 -10.593 17.409 1.00 0.00 C ATOM 611 C ASN A 38 69.110 -11.691 18.439 1.00 0.00 C ATOM 612 O ASN A 38 69.314 -11.409 19.626 1.00 0.00 O ATOM 613 CB ASN A 38 70.376 -10.067 17.179 1.00 0.00 C ATOM 614 CG ASN A 38 70.420 -8.883 16.252 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.456 -8.578 15.554 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.518 -8.193 16.216 1.00 0.00 N ATOM 0 H ASN A 38 68.521 -8.859 18.497 1.00 0.00 H new ATOM 0 HA ASN A 38 68.543 -10.940 16.469 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.814 -9.787 18.137 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.993 -10.866 16.768 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.591 -7.382 15.601 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.308 -8.461 16.803 1.00 0.00 H new ATOM 623 N ASP A 39 69.062 -12.933 17.987 1.00 0.00 N ATOM 624 CA ASP A 39 69.239 -14.048 18.908 1.00 0.00 C ATOM 625 C ASP A 39 70.617 -13.937 19.546 1.00 0.00 C ATOM 626 O ASP A 39 70.989 -14.730 20.411 1.00 0.00 O ATOM 627 CB ASP A 39 69.109 -15.384 18.179 1.00 0.00 C ATOM 628 CG ASP A 39 69.112 -16.529 19.186 1.00 0.00 C ATOM 629 OD1 ASP A 39 68.117 -16.690 19.873 1.00 0.00 O ATOM 630 OD2 ASP A 39 70.109 -17.229 19.255 1.00 0.00 O ATOM 0 H ASP A 39 68.906 -13.193 17.013 1.00 0.00 H new ATOM 0 HA ASP A 39 68.464 -14.008 19.674 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.187 -15.402 17.598 1.00 0.00 H new ATOM 0 HB3 ASP A 39 69.932 -15.505 17.475 1.00 0.00 H new ATOM 635 N GLU A 40 71.359 -12.924 19.107 1.00 0.00 N ATOM 636 CA GLU A 40 72.694 -12.666 19.623 1.00 0.00 C ATOM 637 C GLU A 40 72.596 -12.058 21.012 1.00 0.00 C ATOM 638 O GLU A 40 73.549 -12.089 21.790 1.00 0.00 O ATOM 639 CB GLU A 40 73.407 -11.665 18.706 1.00 0.00 C ATOM 640 CG GLU A 40 74.125 -12.394 17.571 1.00 0.00 C ATOM 641 CD GLU A 40 75.253 -13.258 18.126 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.402 -14.375 17.658 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.950 -12.791 19.012 1.00 0.00 O ATOM 0 H GLU A 40 71.053 -12.266 18.390 1.00 0.00 H new ATOM 0 HA GLU A 40 73.248 -13.604 19.664 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.683 -10.962 18.294 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.125 -11.082 19.283 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.417 -13.016 17.024 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.527 -11.670 16.862 1.00 0.00 H new ATOM 650 N GLY A 41 71.437 -11.483 21.297 1.00 0.00 N ATOM 651 CA GLY A 41 71.203 -10.835 22.575 1.00 0.00 C ATOM 652 C GLY A 41 70.848 -9.376 22.344 1.00 0.00 C ATOM 653 O GLY A 41 70.631 -8.619 23.290 1.00 0.00 O ATOM 0 H GLY A 41 70.643 -11.453 20.657 1.00 0.00 H new ATOM 0 HA2 GLY A 41 70.395 -11.337 23.107 1.00 0.00 H new ATOM 0 HA3 GLY A 41 72.092 -10.910 23.201 1.00 0.00 H new ATOM 657 N THR A 42 70.777 -8.988 21.068 1.00 0.00 N ATOM 658 CA THR A 42 70.429 -7.609 20.727 1.00 0.00 C ATOM 659 C THR A 42 68.909 -7.480 20.651 1.00 0.00 C ATOM 660 O THR A 42 68.222 -8.427 20.266 1.00 0.00 O ATOM 661 CB THR A 42 71.101 -7.190 19.400 1.00 0.00 C ATOM 662 OG1 THR A 42 72.044 -6.162 19.665 1.00 0.00 O ATOM 663 CG2 THR A 42 70.064 -6.669 18.400 1.00 0.00 C ATOM 0 H THR A 42 70.952 -9.597 20.269 1.00 0.00 H new ATOM 0 HA THR A 42 70.798 -6.936 21.501 1.00 0.00 H new ATOM 0 HB THR A 42 71.593 -8.062 18.968 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.688 -6.111 18.928 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.563 -6.381 17.475 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.335 -7.452 18.190 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.555 -5.803 18.822 1.00 0.00 H new ATOM 671 N GLU A 43 68.382 -6.321 21.042 1.00 0.00 N ATOM 672 CA GLU A 43 66.935 -6.118 21.031 1.00 0.00 C ATOM 673 C GLU A 43 66.539 -4.760 20.466 1.00 0.00 C ATOM 674 O GLU A 43 67.082 -3.727 20.858 1.00 0.00 O ATOM 675 CB GLU A 43 66.380 -6.256 22.451 1.00 0.00 C ATOM 676 CG GLU A 43 66.896 -7.553 23.085 1.00 0.00 C ATOM 677 CD GLU A 43 68.268 -7.323 23.713 1.00 0.00 C ATOM 678 OE1 GLU A 43 68.889 -6.325 23.385 1.00 0.00 O ATOM 679 OE2 GLU A 43 68.676 -8.147 24.514 1.00 0.00 O ATOM 0 H GLU A 43 68.925 -5.520 21.365 1.00 0.00 H new ATOM 0 HA GLU A 43 66.511 -6.882 20.380 1.00 0.00 H new ATOM 0 HB2 GLU A 43 66.682 -5.400 23.054 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.290 -6.260 22.427 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.194 -7.900 23.844 1.00 0.00 H new ATOM 0 HG3 GLU A 43 66.961 -8.335 22.329 1.00 0.00 H new ATOM 686 N ALA A 44 65.568 -4.775 19.548 1.00 0.00 N ATOM 687 CA ALA A 44 65.081 -3.547 18.938 1.00 0.00 C ATOM 688 C ALA A 44 63.562 -3.536 18.865 1.00 0.00 C ATOM 689 O ALA A 44 62.944 -4.489 18.391 1.00 0.00 O ATOM 690 CB ALA A 44 65.640 -3.396 17.528 1.00 0.00 C ATOM 0 H ALA A 44 65.109 -5.623 19.216 1.00 0.00 H new ATOM 0 HA ALA A 44 65.415 -2.717 19.561 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.266 -2.473 17.085 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.729 -3.364 17.570 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.325 -4.244 16.919 1.00 0.00 H new ATOM 696 N GLU A 45 62.968 -2.437 19.316 1.00 0.00 N ATOM 697 CA GLU A 45 61.521 -2.292 19.275 1.00 0.00 C ATOM 698 C GLU A 45 61.120 -1.631 17.967 1.00 0.00 C ATOM 699 O GLU A 45 61.449 -0.470 17.726 1.00 0.00 O ATOM 700 CB GLU A 45 61.041 -1.433 20.448 1.00 0.00 C ATOM 701 CG GLU A 45 60.716 -2.324 21.647 1.00 0.00 C ATOM 702 CD GLU A 45 62.004 -2.842 22.278 1.00 0.00 C ATOM 703 OE1 GLU A 45 61.948 -3.871 22.931 1.00 0.00 O ATOM 704 OE2 GLU A 45 63.027 -2.202 22.101 1.00 0.00 O ATOM 0 H GLU A 45 63.464 -1.639 19.712 1.00 0.00 H new ATOM 0 HA GLU A 45 61.062 -3.278 19.348 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.810 -0.710 20.719 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.158 -0.865 20.156 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.142 -1.762 22.383 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.095 -3.161 21.330 1.00 0.00 H new ATOM 711 N ALA A 46 60.421 -2.373 17.121 1.00 0.00 N ATOM 712 CA ALA A 46 59.999 -1.835 15.840 1.00 0.00 C ATOM 713 C ALA A 46 59.485 -0.412 15.991 1.00 0.00 C ATOM 714 O ALA A 46 58.294 -0.198 16.217 1.00 0.00 O ATOM 715 CB ALA A 46 58.896 -2.693 15.264 1.00 0.00 C ATOM 0 H ALA A 46 60.138 -3.337 17.296 1.00 0.00 H new ATOM 0 HA ALA A 46 60.862 -1.832 15.174 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.582 -2.286 14.303 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.261 -3.710 15.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.048 -2.703 15.948 1.00 0.00 H new ATOM 721 N ASN A 47 60.387 0.551 15.863 1.00 0.00 N ATOM 722 CA ASN A 47 60.030 1.960 15.986 1.00 0.00 C ATOM 723 C ASN A 47 61.249 2.752 16.428 1.00 0.00 C ATOM 724 O ASN A 47 61.363 3.946 16.150 1.00 0.00 O ATOM 725 CB ASN A 47 58.893 2.146 17.002 1.00 0.00 C ATOM 726 CG ASN A 47 58.934 3.551 17.600 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.378 3.731 18.734 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.494 4.561 16.901 1.00 0.00 N ATOM 0 H ASN A 47 61.375 0.383 15.673 1.00 0.00 H new ATOM 0 HA ASN A 47 59.687 2.321 15.016 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.932 1.979 16.516 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.981 1.404 17.796 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.518 5.502 17.294 1.00 0.00 H new ATOM 0 HD22 ASN A 47 58.127 4.410 15.962 1.00 0.00 H new ATOM 735 N SER A 48 62.162 2.078 17.122 1.00 0.00 N ATOM 736 CA SER A 48 63.369 2.735 17.600 1.00 0.00 C ATOM 737 C SER A 48 64.523 2.511 16.627 1.00 0.00 C ATOM 738 O SER A 48 65.375 1.652 16.849 1.00 0.00 O ATOM 739 CB SER A 48 63.738 2.189 18.975 1.00 0.00 C ATOM 740 OG SER A 48 62.837 2.708 19.944 1.00 0.00 O ATOM 0 H SER A 48 62.089 1.089 17.362 1.00 0.00 H new ATOM 0 HA SER A 48 63.180 3.806 17.672 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.696 1.100 18.970 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.761 2.468 19.227 1.00 0.00 H new ATOM 0 HG SER A 48 63.071 2.357 20.829 1.00 0.00 H new ATOM 746 N VAL A 49 64.545 3.291 15.548 1.00 0.00 N ATOM 747 CA VAL A 49 65.601 3.169 14.546 1.00 0.00 C ATOM 748 C VAL A 49 66.954 2.959 15.222 1.00 0.00 C ATOM 749 O VAL A 49 67.848 2.322 14.666 1.00 0.00 O ATOM 750 CB VAL A 49 65.656 4.431 13.678 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.093 4.064 12.257 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.270 5.080 13.631 1.00 0.00 C ATOM 0 H VAL A 49 63.849 4.009 15.346 1.00 0.00 H new ATOM 0 HA VAL A 49 65.378 2.308 13.916 1.00 0.00 H new ATOM 0 HB VAL A 49 66.373 5.130 14.107 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.131 4.964 11.644 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.081 3.604 12.287 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.379 3.362 11.827 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.309 5.977 13.014 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.554 4.378 13.205 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.959 5.348 14.641 1.00 0.00 H new ATOM 762 N ILE A 50 67.089 3.504 16.425 1.00 0.00 N ATOM 763 CA ILE A 50 68.308 3.391 17.184 1.00 0.00 C ATOM 764 C ILE A 50 68.501 1.953 17.639 1.00 0.00 C ATOM 765 O ILE A 50 69.604 1.404 17.582 1.00 0.00 O ATOM 766 CB ILE A 50 68.173 4.341 18.380 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.290 5.385 18.344 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.213 3.577 19.697 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.659 4.699 18.443 1.00 0.00 C ATOM 0 H ILE A 50 66.353 4.033 16.892 1.00 0.00 H new ATOM 0 HA ILE A 50 69.180 3.659 16.587 1.00 0.00 H new ATOM 0 HB ILE A 50 67.208 4.842 18.310 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.230 5.961 17.421 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.167 6.088 19.167 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.115 4.277 20.527 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.392 2.861 19.727 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.161 3.045 19.781 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.446 5.452 18.416 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.720 4.143 19.378 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.784 4.014 17.605 1.00 0.00 H new ATOM 781 N ALA A 51 67.411 1.352 18.083 1.00 0.00 N ATOM 782 CA ALA A 51 67.442 -0.012 18.543 1.00 0.00 C ATOM 783 C ALA A 51 67.659 -0.933 17.352 1.00 0.00 C ATOM 784 O ALA A 51 68.271 -1.993 17.475 1.00 0.00 O ATOM 785 CB ALA A 51 66.128 -0.327 19.258 1.00 0.00 C ATOM 0 H ALA A 51 66.494 1.795 18.132 1.00 0.00 H new ATOM 0 HA ALA A 51 68.261 -0.163 19.247 1.00 0.00 H new ATOM 0 HB1 ALA A 51 66.143 -1.359 19.610 1.00 0.00 H new ATOM 0 HB2 ALA A 51 66.006 0.344 20.108 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.296 -0.192 18.567 1.00 0.00 H new ATOM 791 N LEU A 52 67.184 -0.495 16.188 1.00 0.00 N ATOM 792 CA LEU A 52 67.360 -1.262 14.972 1.00 0.00 C ATOM 793 C LEU A 52 68.806 -1.136 14.511 1.00 0.00 C ATOM 794 O LEU A 52 69.422 -2.104 14.059 1.00 0.00 O ATOM 795 CB LEU A 52 66.412 -0.747 13.888 1.00 0.00 C ATOM 796 CG LEU A 52 65.016 -1.364 14.073 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.168 -0.461 14.969 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.342 -1.506 12.709 1.00 0.00 C ATOM 0 H LEU A 52 66.678 0.383 16.068 1.00 0.00 H new ATOM 0 HA LEU A 52 67.130 -2.310 15.162 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.347 0.340 13.936 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.802 -0.999 12.902 1.00 0.00 H new ATOM 0 HG LEU A 52 65.112 -2.345 14.539 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.179 -0.901 15.098 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.649 -0.358 15.942 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.070 0.521 14.507 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.352 -1.943 12.836 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.248 -0.524 12.246 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.945 -2.152 12.071 1.00 0.00 H new ATOM 810 N LEU A 53 69.354 0.065 14.659 1.00 0.00 N ATOM 811 CA LEU A 53 70.737 0.302 14.290 1.00 0.00 C ATOM 812 C LEU A 53 71.606 -0.745 14.973 1.00 0.00 C ATOM 813 O LEU A 53 72.649 -1.149 14.461 1.00 0.00 O ATOM 814 CB LEU A 53 71.146 1.708 14.747 1.00 0.00 C ATOM 815 CG LEU A 53 72.173 2.318 13.782 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.379 1.383 13.650 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.535 2.539 12.400 1.00 0.00 C ATOM 0 H LEU A 53 68.864 0.880 15.029 1.00 0.00 H new ATOM 0 HA LEU A 53 70.862 0.231 13.210 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.266 2.348 14.801 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.567 1.661 15.751 1.00 0.00 H new ATOM 0 HG LEU A 53 72.502 3.279 14.178 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.105 1.820 12.964 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.841 1.245 14.628 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.051 0.418 13.264 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.272 2.972 11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.193 1.584 12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.687 3.218 12.495 1.00 0.00 H new ATOM 829 N MET A 54 71.148 -1.177 16.143 1.00 0.00 N ATOM 830 CA MET A 54 71.861 -2.182 16.924 1.00 0.00 C ATOM 831 C MET A 54 71.885 -3.531 16.202 1.00 0.00 C ATOM 832 O MET A 54 72.798 -4.331 16.408 1.00 0.00 O ATOM 833 CB MET A 54 71.192 -2.349 18.291 1.00 0.00 C ATOM 834 CG MET A 54 72.154 -3.054 19.250 1.00 0.00 C ATOM 835 SD MET A 54 73.484 -1.916 19.715 1.00 0.00 S ATOM 836 CE MET A 54 73.561 -2.350 21.471 1.00 0.00 C ATOM 0 H MET A 54 70.284 -0.846 16.572 1.00 0.00 H new ATOM 0 HA MET A 54 72.888 -1.841 17.053 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.912 -1.375 18.692 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.274 -2.928 18.190 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.619 -3.388 20.139 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.570 -3.943 18.776 1.00 0.00 H new ATOM 0 HE1 MET A 54 74.332 -1.754 21.960 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.597 -2.150 21.938 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.801 -3.408 21.574 1.00 0.00 H new ATOM 846 N LEU A 55 70.890 -3.781 15.348 1.00 0.00 N ATOM 847 CA LEU A 55 70.847 -5.047 14.609 1.00 0.00 C ATOM 848 C LEU A 55 71.666 -4.925 13.329 1.00 0.00 C ATOM 849 O LEU A 55 71.942 -5.918 12.665 1.00 0.00 O ATOM 850 CB LEU A 55 69.410 -5.488 14.239 1.00 0.00 C ATOM 851 CG LEU A 55 68.337 -4.778 15.084 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.046 -4.681 14.264 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.058 -5.564 16.374 1.00 0.00 C ATOM 0 H LEU A 55 70.120 -3.141 15.153 1.00 0.00 H new ATOM 0 HA LEU A 55 71.264 -5.806 15.271 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.231 -5.282 13.184 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.319 -6.566 14.373 1.00 0.00 H new ATOM 0 HG LEU A 55 68.694 -3.784 15.351 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.278 -4.179 14.853 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.235 -4.112 13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.706 -5.683 14.001 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.297 -5.046 16.958 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.704 -6.564 16.122 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.975 -5.640 16.959 1.00 0.00 H new ATOM 865 N ASP A 56 72.046 -3.699 12.994 1.00 0.00 N ATOM 866 CA ASP A 56 72.835 -3.451 11.794 1.00 0.00 C ATOM 867 C ASP A 56 73.958 -4.466 11.709 1.00 0.00 C ATOM 868 O ASP A 56 74.209 -5.047 10.653 1.00 0.00 O ATOM 869 CB ASP A 56 73.418 -2.038 11.821 1.00 0.00 C ATOM 870 CG ASP A 56 74.330 -1.827 10.617 1.00 0.00 C ATOM 871 OD1 ASP A 56 75.456 -2.294 10.664 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.889 -1.203 9.667 1.00 0.00 O ATOM 0 H ASP A 56 71.822 -2.863 13.534 1.00 0.00 H new ATOM 0 HA ASP A 56 72.189 -3.545 10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 56 72.613 -1.303 11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.978 -1.884 12.743 1.00 0.00 H new ATOM 877 N SER A 57 74.612 -4.699 12.841 1.00 0.00 N ATOM 878 CA SER A 57 75.682 -5.675 12.886 1.00 0.00 C ATOM 879 C SER A 57 75.142 -7.005 12.387 1.00 0.00 C ATOM 880 O SER A 57 75.894 -7.955 12.171 1.00 0.00 O ATOM 881 CB SER A 57 76.206 -5.823 14.315 1.00 0.00 C ATOM 882 OG SER A 57 77.068 -4.733 14.613 1.00 0.00 O ATOM 0 H SER A 57 74.420 -4.230 13.726 1.00 0.00 H new ATOM 0 HA SER A 57 76.507 -5.347 12.254 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.374 -5.847 15.019 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.742 -6.766 14.422 1.00 0.00 H new ATOM 0 HG SER A 57 77.405 -4.823 15.529 1.00 0.00 H new ATOM 888 N ALA A 58 73.820 -7.051 12.201 1.00 0.00 N ATOM 889 CA ALA A 58 73.158 -8.263 11.713 1.00 0.00 C ATOM 890 C ALA A 58 74.077 -9.023 10.756 1.00 0.00 C ATOM 891 O ALA A 58 74.864 -9.870 11.173 1.00 0.00 O ATOM 892 CB ALA A 58 71.863 -7.888 10.981 1.00 0.00 C ATOM 0 H ALA A 58 73.191 -6.268 12.380 1.00 0.00 H new ATOM 0 HA ALA A 58 72.926 -8.900 12.566 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.374 -8.793 10.620 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.196 -7.364 11.666 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.097 -7.240 10.136 1.00 0.00 H new ATOM 898 N LYS A 59 73.966 -8.696 9.473 1.00 0.00 N ATOM 899 CA LYS A 59 74.780 -9.321 8.431 1.00 0.00 C ATOM 900 C LYS A 59 75.208 -10.740 8.804 1.00 0.00 C ATOM 901 O LYS A 59 76.389 -10.999 9.033 1.00 0.00 O ATOM 902 CB LYS A 59 76.024 -8.469 8.155 1.00 0.00 C ATOM 903 CG LYS A 59 76.728 -8.130 9.476 1.00 0.00 C ATOM 904 CD LYS A 59 78.194 -7.770 9.209 1.00 0.00 C ATOM 905 CE LYS A 59 78.276 -6.397 8.538 1.00 0.00 C ATOM 906 NZ LYS A 59 79.701 -6.069 8.253 1.00 0.00 N ATOM 0 H LYS A 59 73.313 -7.994 9.125 1.00 0.00 H new ATOM 0 HA LYS A 59 74.163 -9.384 7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.706 -9.008 7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.740 -7.552 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.223 -7.296 9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.671 -8.979 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.752 -7.762 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.653 -8.525 8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 59 77.700 -6.397 7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 59 77.839 -5.637 9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 79.758 -5.136 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.238 -6.053 9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.103 -6.789 7.619 1.00 0.00 H new ATOM 920 N GLY A 60 74.246 -11.662 8.840 1.00 0.00 N ATOM 921 CA GLY A 60 74.551 -13.058 9.161 1.00 0.00 C ATOM 922 C GLY A 60 73.783 -13.542 10.385 1.00 0.00 C ATOM 923 O GLY A 60 73.218 -14.635 10.379 1.00 0.00 O ATOM 0 H GLY A 60 73.261 -11.472 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.306 -13.689 8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.621 -13.164 9.339 1.00 0.00 H new ATOM 927 N ARG A 61 73.768 -12.731 11.432 1.00 0.00 N ATOM 928 CA ARG A 61 73.069 -13.097 12.652 1.00 0.00 C ATOM 929 C ARG A 61 71.629 -13.465 12.337 1.00 0.00 C ATOM 930 O ARG A 61 71.230 -13.503 11.174 1.00 0.00 O ATOM 931 CB ARG A 61 73.098 -11.926 13.637 1.00 0.00 C ATOM 932 CG ARG A 61 74.545 -11.476 13.850 1.00 0.00 C ATOM 933 CD ARG A 61 74.573 -10.205 14.709 1.00 0.00 C ATOM 934 NE ARG A 61 75.778 -10.181 15.531 1.00 0.00 N ATOM 935 CZ ARG A 61 76.169 -9.070 16.145 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.259 -9.069 16.863 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.459 -7.980 16.036 1.00 0.00 N ATOM 0 H ARG A 61 74.229 -11.821 11.461 1.00 0.00 H new ATOM 0 HA ARG A 61 73.566 -13.957 13.100 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.501 -11.099 13.253 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.655 -12.225 14.587 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.114 -12.268 14.337 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.022 -11.287 12.888 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.543 -9.323 14.069 1.00 0.00 H new ATOM 0 HD3 ARG A 61 73.689 -10.167 15.345 1.00 0.00 H new ATOM 0 HE ARG A 61 76.330 -11.032 15.636 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.811 -9.922 16.953 1.00 0.00 H new ATOM 0 HH12 ARG A 61 77.559 -8.215 17.334 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.604 -7.982 15.479 1.00 0.00 H new ATOM 0 HH22 ARG A 61 75.759 -7.127 16.507 1.00 0.00 H new ATOM 951 N GLN A 62 70.847 -13.717 13.378 1.00 0.00 N ATOM 952 CA GLN A 62 69.444 -14.056 13.206 1.00 0.00 C ATOM 953 C GLN A 62 68.617 -13.177 14.123 1.00 0.00 C ATOM 954 O GLN A 62 69.031 -12.870 15.240 1.00 0.00 O ATOM 955 CB GLN A 62 69.201 -15.534 13.520 1.00 0.00 C ATOM 956 CG GLN A 62 69.667 -15.844 14.945 1.00 0.00 C ATOM 957 CD GLN A 62 70.386 -17.189 14.989 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.479 -17.329 14.440 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.834 -18.193 15.614 1.00 0.00 N ATOM 0 H GLN A 62 71.161 -13.693 14.348 1.00 0.00 H new ATOM 0 HA GLN A 62 69.153 -13.886 12.170 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.142 -15.768 13.415 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.738 -16.160 12.807 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.334 -15.056 15.296 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.811 -15.860 15.619 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.928 -18.075 16.068 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.308 -19.095 15.648 1.00 0.00 H new ATOM 968 N ILE A 63 67.468 -12.745 13.637 1.00 0.00 N ATOM 969 CA ILE A 63 66.611 -11.870 14.400 1.00 0.00 C ATOM 970 C ILE A 63 65.429 -12.621 14.961 1.00 0.00 C ATOM 971 O ILE A 63 64.985 -13.615 14.399 1.00 0.00 O ATOM 972 CB ILE A 63 66.122 -10.759 13.481 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.451 -9.651 14.296 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.125 -11.331 12.462 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.504 -8.635 14.736 1.00 0.00 C ATOM 0 H ILE A 63 67.110 -12.989 12.714 1.00 0.00 H new ATOM 0 HA ILE A 63 67.174 -11.458 15.238 1.00 0.00 H new ATOM 0 HB ILE A 63 66.977 -10.337 12.953 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.683 -9.160 13.699 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.954 -10.076 15.168 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.777 -10.533 11.806 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.615 -12.102 11.867 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.275 -11.764 12.989 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.027 -7.845 15.317 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.256 -9.132 15.349 1.00 0.00 H new ATOM 0 HD13 ILE A 63 66.981 -8.202 13.857 1.00 0.00 H new ATOM 987 N GLU A 64 64.914 -12.104 16.054 1.00 0.00 N ATOM 988 CA GLU A 64 63.751 -12.673 16.698 1.00 0.00 C ATOM 989 C GLU A 64 62.649 -11.630 16.616 1.00 0.00 C ATOM 990 O GLU A 64 62.700 -10.608 17.297 1.00 0.00 O ATOM 991 CB GLU A 64 64.086 -13.021 18.161 1.00 0.00 C ATOM 992 CG GLU A 64 63.800 -14.504 18.445 1.00 0.00 C ATOM 993 CD GLU A 64 63.487 -14.702 19.926 1.00 0.00 C ATOM 994 OE1 GLU A 64 64.246 -15.393 20.584 1.00 0.00 O ATOM 995 OE2 GLU A 64 62.492 -14.160 20.378 1.00 0.00 O ATOM 0 H GLU A 64 65.289 -11.278 16.521 1.00 0.00 H new ATOM 0 HA GLU A 64 63.431 -13.595 16.212 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.135 -12.803 18.361 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.497 -12.397 18.833 1.00 0.00 H new ATOM 0 HG2 GLU A 64 62.960 -14.843 17.839 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.661 -15.109 18.163 1.00 0.00 H new ATOM 1002 N VAL A 65 61.677 -11.848 15.739 1.00 0.00 N ATOM 1003 CA VAL A 65 60.628 -10.871 15.567 1.00 0.00 C ATOM 1004 C VAL A 65 59.442 -11.171 16.456 1.00 0.00 C ATOM 1005 O VAL A 65 59.000 -12.310 16.516 1.00 0.00 O ATOM 1006 CB VAL A 65 60.174 -10.871 14.107 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.712 -12.268 13.684 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.023 -9.878 13.951 1.00 0.00 C ATOM 0 H VAL A 65 61.599 -12.677 15.150 1.00 0.00 H new ATOM 0 HA VAL A 65 61.024 -9.894 15.844 1.00 0.00 H new ATOM 0 HB VAL A 65 61.010 -10.581 13.471 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.393 -12.246 12.642 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.536 -12.973 13.797 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.878 -12.581 14.312 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.689 -9.868 12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.196 -10.176 14.595 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.362 -8.881 14.233 1.00 0.00 H new ATOM 1018 N GLU A 66 58.901 -10.154 17.130 1.00 0.00 N ATOM 1019 CA GLU A 66 57.731 -10.392 17.956 1.00 0.00 C ATOM 1020 C GLU A 66 56.717 -9.269 17.775 1.00 0.00 C ATOM 1021 O GLU A 66 56.992 -8.126 18.119 1.00 0.00 O ATOM 1022 CB GLU A 66 58.102 -10.511 19.433 1.00 0.00 C ATOM 1023 CG GLU A 66 56.823 -10.421 20.270 1.00 0.00 C ATOM 1024 CD GLU A 66 57.072 -10.961 21.674 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.905 -10.204 22.616 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.427 -12.123 21.787 1.00 0.00 O ATOM 0 H GLU A 66 59.244 -9.193 17.119 1.00 0.00 H new ATOM 0 HA GLU A 66 57.291 -11.336 17.636 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.610 -11.457 19.620 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.794 -9.717 19.714 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.488 -9.385 20.325 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.025 -10.989 19.791 1.00 0.00 H new ATOM 1033 N ALA A 67 55.534 -9.593 17.253 1.00 0.00 N ATOM 1034 CA ALA A 67 54.510 -8.569 17.063 1.00 0.00 C ATOM 1035 C ALA A 67 53.324 -8.845 17.970 1.00 0.00 C ATOM 1036 O ALA A 67 53.073 -9.992 18.337 1.00 0.00 O ATOM 1037 CB ALA A 67 54.091 -8.509 15.593 1.00 0.00 C ATOM 0 H ALA A 67 55.266 -10.533 16.961 1.00 0.00 H new ATOM 0 HA ALA A 67 54.919 -7.595 17.333 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.327 -7.742 15.463 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.957 -8.266 14.977 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.690 -9.476 15.289 1.00 0.00 H new ATOM 1043 N THR A 68 52.618 -7.787 18.376 1.00 0.00 N ATOM 1044 CA THR A 68 51.497 -7.963 19.283 1.00 0.00 C ATOM 1045 C THR A 68 50.431 -6.875 19.121 1.00 0.00 C ATOM 1046 O THR A 68 50.592 -5.755 19.606 1.00 0.00 O ATOM 1047 CB THR A 68 52.014 -7.927 20.718 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.015 -8.918 20.888 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.858 -8.188 21.676 1.00 0.00 C ATOM 0 H THR A 68 52.801 -6.824 18.096 1.00 0.00 H new ATOM 0 HA THR A 68 51.033 -8.921 19.047 1.00 0.00 H new ATOM 0 HB THR A 68 52.444 -6.948 20.929 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.279 -8.958 21.831 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.224 -8.163 22.703 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.095 -7.421 21.544 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.427 -9.167 21.468 1.00 0.00 H new ATOM 1057 N GLY A 69 49.334 -7.230 18.465 1.00 0.00 N ATOM 1058 CA GLY A 69 48.220 -6.305 18.267 1.00 0.00 C ATOM 1059 C GLY A 69 47.242 -6.844 17.226 1.00 0.00 C ATOM 1060 O GLY A 69 47.484 -7.871 16.603 1.00 0.00 O ATOM 0 H GLY A 69 49.189 -8.154 18.059 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.701 -6.147 19.212 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.600 -5.335 17.947 1.00 0.00 H new ATOM 1064 N PRO A 70 46.145 -6.180 17.029 1.00 0.00 N ATOM 1065 CA PRO A 70 45.115 -6.605 16.045 1.00 0.00 C ATOM 1066 C PRO A 70 45.696 -7.232 14.783 1.00 0.00 C ATOM 1067 O PRO A 70 45.273 -8.312 14.369 1.00 0.00 O ATOM 1068 CB PRO A 70 44.413 -5.294 15.731 1.00 0.00 C ATOM 1069 CG PRO A 70 44.425 -4.562 17.031 1.00 0.00 C ATOM 1070 CD PRO A 70 45.744 -4.942 17.720 1.00 0.00 C ATOM 0 HA PRO A 70 44.466 -7.387 16.440 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.936 -4.737 14.954 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.396 -5.460 15.375 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.364 -3.485 16.873 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.569 -4.843 17.645 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.495 -4.159 17.610 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.607 -5.105 18.789 1.00 0.00 H new ATOM 1078 N GLN A 71 46.640 -6.539 14.156 1.00 0.00 N ATOM 1079 CA GLN A 71 47.237 -7.041 12.907 1.00 0.00 C ATOM 1080 C GLN A 71 48.754 -7.250 13.013 1.00 0.00 C ATOM 1081 O GLN A 71 49.503 -6.900 12.101 1.00 0.00 O ATOM 1082 CB GLN A 71 46.921 -6.062 11.771 1.00 0.00 C ATOM 1083 CG GLN A 71 45.486 -6.286 11.280 1.00 0.00 C ATOM 1084 CD GLN A 71 44.953 -5.014 10.626 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.453 -5.056 9.502 1.00 0.00 O ATOM 1086 NE2 GLN A 71 45.030 -3.881 11.268 1.00 0.00 N ATOM 0 H GLN A 71 47.008 -5.644 14.478 1.00 0.00 H new ATOM 0 HA GLN A 71 46.800 -8.019 12.703 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.041 -5.036 12.118 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.623 -6.204 10.949 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.462 -7.109 10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.847 -6.570 12.116 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.445 -3.850 12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.675 -3.026 10.839 1.00 0.00 H new ATOM 1095 N GLU A 72 49.198 -7.843 14.114 1.00 0.00 N ATOM 1096 CA GLU A 72 50.622 -8.116 14.322 1.00 0.00 C ATOM 1097 C GLU A 72 51.143 -9.127 13.325 1.00 0.00 C ATOM 1098 O GLU A 72 52.267 -9.014 12.841 1.00 0.00 O ATOM 1099 CB GLU A 72 50.829 -8.663 15.744 1.00 0.00 C ATOM 1100 CG GLU A 72 49.569 -9.402 16.185 1.00 0.00 C ATOM 1101 CD GLU A 72 49.882 -10.380 17.310 1.00 0.00 C ATOM 1102 OE1 GLU A 72 48.946 -10.900 17.895 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.049 -10.593 17.572 1.00 0.00 O ATOM 0 H GLU A 72 48.596 -8.146 14.879 1.00 0.00 H new ATOM 0 HA GLU A 72 51.170 -7.184 14.184 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.686 -9.336 15.767 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.046 -7.847 16.433 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.819 -8.685 16.519 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.142 -9.939 15.338 1.00 0.00 H new ATOM 1110 N GLU A 73 50.334 -10.117 13.036 1.00 0.00 N ATOM 1111 CA GLU A 73 50.741 -11.155 12.110 1.00 0.00 C ATOM 1112 C GLU A 73 51.097 -10.560 10.765 1.00 0.00 C ATOM 1113 O GLU A 73 52.210 -10.737 10.280 1.00 0.00 O ATOM 1114 CB GLU A 73 49.619 -12.185 11.941 1.00 0.00 C ATOM 1115 CG GLU A 73 49.444 -12.986 13.241 1.00 0.00 C ATOM 1116 CD GLU A 73 49.585 -14.481 12.965 1.00 0.00 C ATOM 1117 OE1 GLU A 73 50.489 -14.845 12.230 1.00 0.00 O ATOM 1118 OE2 GLU A 73 48.788 -15.239 13.492 1.00 0.00 O ATOM 0 H GLU A 73 49.397 -10.229 13.423 1.00 0.00 H new ATOM 0 HA GLU A 73 51.622 -11.650 12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.687 -11.681 11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.853 -12.859 11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.189 -12.672 13.972 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.465 -12.780 13.674 1.00 0.00 H new ATOM 1125 N GLU A 74 50.158 -9.845 10.169 1.00 0.00 N ATOM 1126 CA GLU A 74 50.410 -9.234 8.878 1.00 0.00 C ATOM 1127 C GLU A 74 51.669 -8.375 8.949 1.00 0.00 C ATOM 1128 O GLU A 74 52.543 -8.446 8.085 1.00 0.00 O ATOM 1129 CB GLU A 74 49.213 -8.383 8.465 1.00 0.00 C ATOM 1130 CG GLU A 74 49.434 -7.886 7.044 1.00 0.00 C ATOM 1131 CD GLU A 74 49.398 -9.054 6.065 1.00 0.00 C ATOM 1132 OE1 GLU A 74 48.544 -9.910 6.225 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.226 -9.076 5.169 1.00 0.00 O ATOM 0 H GLU A 74 49.228 -9.676 10.552 1.00 0.00 H new ATOM 0 HA GLU A 74 50.559 -10.016 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 74 48.296 -8.969 8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.096 -7.540 9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.666 -7.159 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 74 50.394 -7.374 6.975 1.00 0.00 H new ATOM 1140 N ALA A 75 51.737 -7.568 9.995 1.00 0.00 N ATOM 1141 CA ALA A 75 52.871 -6.677 10.224 1.00 0.00 C ATOM 1142 C ALA A 75 54.164 -7.461 10.286 1.00 0.00 C ATOM 1143 O ALA A 75 55.058 -7.244 9.479 1.00 0.00 O ATOM 1144 CB ALA A 75 52.666 -5.908 11.547 1.00 0.00 C ATOM 0 H ALA A 75 51.012 -7.509 10.710 1.00 0.00 H new ATOM 0 HA ALA A 75 52.933 -5.972 9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.513 -5.243 11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.750 -5.320 11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.590 -6.617 12.372 1.00 0.00 H new ATOM 1150 N LEU A 76 54.241 -8.385 11.228 1.00 0.00 N ATOM 1151 CA LEU A 76 55.418 -9.221 11.386 1.00 0.00 C ATOM 1152 C LEU A 76 55.599 -10.076 10.140 1.00 0.00 C ATOM 1153 O LEU A 76 56.716 -10.382 9.731 1.00 0.00 O ATOM 1154 CB LEU A 76 55.208 -10.086 12.635 1.00 0.00 C ATOM 1155 CG LEU A 76 55.818 -11.487 12.470 1.00 0.00 C ATOM 1156 CD1 LEU A 76 55.967 -12.141 13.854 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.908 -12.365 11.589 1.00 0.00 C ATOM 0 H LEU A 76 53.497 -8.576 11.899 1.00 0.00 H new ATOM 0 HA LEU A 76 56.320 -8.622 11.509 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.657 -9.594 13.498 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.141 -10.176 12.839 1.00 0.00 H new ATOM 0 HG LEU A 76 56.794 -11.396 11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.399 -13.135 13.742 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.620 -11.530 14.477 1.00 0.00 H new ATOM 0 HD13 LEU A 76 54.988 -12.222 14.325 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.352 -13.355 11.480 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.928 -12.456 12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.800 -11.906 10.606 1.00 0.00 H new ATOM 1169 N ALA A 77 54.477 -10.444 9.544 1.00 0.00 N ATOM 1170 CA ALA A 77 54.476 -11.258 8.337 1.00 0.00 C ATOM 1171 C ALA A 77 54.878 -10.424 7.125 1.00 0.00 C ATOM 1172 O ALA A 77 55.344 -10.957 6.117 1.00 0.00 O ATOM 1173 CB ALA A 77 53.068 -11.802 8.118 1.00 0.00 C ATOM 0 H ALA A 77 53.548 -10.190 9.879 1.00 0.00 H new ATOM 0 HA ALA A 77 55.191 -12.072 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.051 -12.415 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.775 -12.409 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.371 -10.972 8.006 1.00 0.00 H new ATOM 1179 N ALA A 78 54.693 -9.114 7.234 1.00 0.00 N ATOM 1180 CA ALA A 78 55.035 -8.209 6.145 1.00 0.00 C ATOM 1181 C ALA A 78 56.528 -7.928 6.172 1.00 0.00 C ATOM 1182 O ALA A 78 57.172 -7.782 5.131 1.00 0.00 O ATOM 1183 CB ALA A 78 54.248 -6.901 6.281 1.00 0.00 C ATOM 0 H ALA A 78 54.310 -8.657 8.061 1.00 0.00 H new ATOM 0 HA ALA A 78 54.774 -8.673 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.511 -6.231 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.180 -7.114 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.493 -6.426 7.231 1.00 0.00 H new ATOM 1189 N VAL A 79 57.078 -7.894 7.378 1.00 0.00 N ATOM 1190 CA VAL A 79 58.499 -7.671 7.544 1.00 0.00 C ATOM 1191 C VAL A 79 59.225 -8.932 7.130 1.00 0.00 C ATOM 1192 O VAL A 79 60.206 -8.891 6.402 1.00 0.00 O ATOM 1193 CB VAL A 79 58.821 -7.354 9.013 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.538 -7.035 9.759 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.481 -8.566 9.666 1.00 0.00 C ATOM 0 H VAL A 79 56.561 -8.018 8.249 1.00 0.00 H new ATOM 0 HA VAL A 79 58.814 -6.827 6.931 1.00 0.00 H new ATOM 0 HB VAL A 79 59.495 -6.498 9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.769 -6.811 10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.055 -6.172 9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.867 -7.893 9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.709 -8.339 10.708 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.803 -9.418 9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.403 -8.807 9.137 1.00 0.00 H new ATOM 1205 N ILE A 80 58.717 -10.053 7.623 1.00 0.00 N ATOM 1206 CA ILE A 80 59.290 -11.344 7.333 1.00 0.00 C ATOM 1207 C ILE A 80 59.509 -11.473 5.862 1.00 0.00 C ATOM 1208 O ILE A 80 60.638 -11.596 5.407 1.00 0.00 O ATOM 1209 CB ILE A 80 58.351 -12.411 7.862 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.539 -12.445 9.384 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.664 -13.773 7.223 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.284 -13.705 9.806 1.00 0.00 C ATOM 0 H ILE A 80 57.899 -10.085 8.232 1.00 0.00 H new ATOM 0 HA ILE A 80 60.259 -11.461 7.818 1.00 0.00 H new ATOM 0 HB ILE A 80 57.314 -12.186 7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.093 -11.564 9.707 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.567 -12.409 9.876 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.980 -14.525 7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.545 -13.703 6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.690 -14.058 7.458 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.407 -13.710 10.889 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.715 -14.583 9.502 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.264 -13.725 9.330 1.00 0.00 H new ATOM 1224 N ALA A 81 58.445 -11.384 5.108 1.00 0.00 N ATOM 1225 CA ALA A 81 58.601 -11.440 3.679 1.00 0.00 C ATOM 1226 C ALA A 81 59.690 -10.465 3.308 1.00 0.00 C ATOM 1227 O ALA A 81 60.350 -10.605 2.278 1.00 0.00 O ATOM 1228 CB ALA A 81 57.318 -11.039 2.985 1.00 0.00 C ATOM 0 H ALA A 81 57.489 -11.276 5.446 1.00 0.00 H new ATOM 0 HA ALA A 81 58.851 -12.455 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.458 -11.088 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.518 -11.718 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.053 -10.021 3.271 1.00 0.00 H new ATOM 1234 N LEU A 82 59.893 -9.480 4.185 1.00 0.00 N ATOM 1235 CA LEU A 82 60.924 -8.502 3.963 1.00 0.00 C ATOM 1236 C LEU A 82 62.199 -8.962 4.649 1.00 0.00 C ATOM 1237 O LEU A 82 63.297 -8.804 4.117 1.00 0.00 O ATOM 1238 CB LEU A 82 60.466 -7.142 4.484 1.00 0.00 C ATOM 1239 CG LEU A 82 60.735 -6.076 3.420 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.237 -6.040 3.109 1.00 0.00 C ATOM 1241 CD2 LEU A 82 59.944 -6.415 2.142 1.00 0.00 C ATOM 0 H LEU A 82 59.356 -9.351 5.043 1.00 0.00 H new ATOM 0 HA LEU A 82 61.124 -8.398 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.403 -7.171 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 82 60.995 -6.895 5.404 1.00 0.00 H new ATOM 0 HG LEU A 82 60.418 -5.100 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 82 62.434 -5.282 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 82 62.791 -5.798 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 82 62.555 -7.014 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 82 60.135 -5.656 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.258 -7.389 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 82 58.878 -6.440 2.370 1.00 0.00 H new ATOM 1253 N PHE A 83 62.043 -9.569 5.822 1.00 0.00 N ATOM 1254 CA PHE A 83 63.188 -10.082 6.538 1.00 0.00 C ATOM 1255 C PHE A 83 63.704 -11.293 5.789 1.00 0.00 C ATOM 1256 O PHE A 83 64.905 -11.554 5.730 1.00 0.00 O ATOM 1257 CB PHE A 83 62.822 -10.471 7.965 1.00 0.00 C ATOM 1258 CG PHE A 83 62.823 -9.273 8.884 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.643 -7.967 8.393 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.009 -9.481 10.254 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.656 -6.887 9.282 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.017 -8.403 11.131 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.843 -7.113 10.648 1.00 0.00 C ATOM 0 H PHE A 83 61.145 -9.712 6.285 1.00 0.00 H new ATOM 0 HA PHE A 83 63.953 -9.308 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.837 -10.937 7.975 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.530 -11.214 8.333 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.496 -7.799 7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.147 -10.483 10.632 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.522 -5.881 8.913 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.159 -8.569 12.189 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.852 -6.278 11.333 1.00 0.00 H new ATOM 1273 N ASN A 84 62.763 -12.005 5.189 1.00 0.00 N ATOM 1274 CA ASN A 84 63.069 -13.174 4.400 1.00 0.00 C ATOM 1275 C ASN A 84 63.562 -12.718 3.052 1.00 0.00 C ATOM 1276 O ASN A 84 64.197 -13.458 2.301 1.00 0.00 O ATOM 1277 CB ASN A 84 61.800 -14.011 4.233 1.00 0.00 C ATOM 1278 CG ASN A 84 62.104 -15.496 4.395 1.00 0.00 C ATOM 1279 OD1 ASN A 84 63.034 -16.014 3.775 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.368 -16.216 5.198 1.00 0.00 N ATOM 0 H ASN A 84 61.768 -11.784 5.239 1.00 0.00 H new ATOM 0 HA ASN A 84 63.833 -13.779 4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 84 61.058 -13.705 4.970 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.366 -13.829 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.562 -17.211 5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.599 -15.784 5.710 1.00 0.00 H new ATOM 1287 N SER A 85 63.247 -11.475 2.779 1.00 0.00 N ATOM 1288 CA SER A 85 63.637 -10.848 1.517 1.00 0.00 C ATOM 1289 C SER A 85 63.256 -9.372 1.495 1.00 0.00 C ATOM 1290 O SER A 85 64.046 -8.569 1.962 1.00 0.00 O ATOM 1291 CB SER A 85 62.961 -11.564 0.346 1.00 0.00 C ATOM 1292 OG SER A 85 61.560 -11.328 0.398 1.00 0.00 O ATOM 1293 OXT SER A 85 62.183 -9.067 1.001 1.00 0.00 O ATOM 0 H SER A 85 62.721 -10.868 3.408 1.00 0.00 H new ATOM 0 HA SER A 85 64.720 -10.929 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 85 63.367 -11.204 -0.599 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.163 -12.634 0.393 1.00 0.00 H new ATOM 0 HG SER A 85 61.377 -10.574 0.997 1.00 0.00 H new